#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7a h LEU 2 N 0.00 0.66 -1.08 1.04 4.07 -1.22 -2.12 115.31 116.66 1q7a h LEU 2 Ca 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1q7a h LEU 2 Cb 0.00 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 1q7a h LEU 2 CO 0.00 0.38 0.23 -0.07 -1.08 0.00 0.00 178.44 177.90 1q7a h LEU 3 N 0.72 0.81 0.23 1.67 -0.00 -1.95 -0.41 115.31 116.39 1q7a h LEU 3 Ca 0.37 -0.11 -0.33 0.00 -0.00 0.00 0.00 57.88 57.81 1q7a h LEU 3 Cb 0.48 -0.21 0.04 0.00 -0.00 0.00 0.00 40.66 40.96 1q7a h LEU 3 CO -0.15 0.74 -1.45 -0.33 -0.00 0.00 0.00 178.44 177.25 1q7a h GLU 4 N 0.87 0.53 -0.93 1.13 5.08 -1.84 -2.67 114.58 116.74 1q7a h GLU 4 Ca 0.20 -0.88 0.01 0.00 -1.00 0.00 0.00 59.36 57.69 1q7a h GLU 4 Cb 0.19 0.33 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1q7a h GLU 4 CO -0.02 1.42 0.62 0.35 -1.00 0.00 0.00 179.01 180.38 1q7a h PHE 5 N 0.15 1.17 -0.76 4.33 3.57 -1.28 0.28 116.94 124.41 1q7a h PHE 5 Ca -0.24 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 1q7a h PHE 5 Cb 2.14 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 40.45 1q7a h PHE 5 CO 0.12 0.73 0.41 0.78 -2.23 0.00 0.00 178.31 178.12 1q7a h GLY 6 N 1.25 1.14 1.36 2.40 0.00 -1.05 -0.36 103.07 107.81 1q7a h GLY 6 Ca 0.35 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.99 1q7a h GLY 6 CO -0.08 0.50 -0.52 1.70 0.00 0.00 0.00 176.54 178.14 1q7a h LYS 7 N 1.05 0.67 -0.69 4.80 3.64 -0.93 -1.86 116.57 123.25 1q7a h LYS 7 Ca 0.27 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1q7a h LYS 7 Cb 0.05 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1q7a h LYS 7 CO -0.04 1.03 0.37 1.98 -2.27 0.00 0.00 179.45 180.52 1q7a h MET 8 N 0.52 0.97 -0.49 1.90 4.05 -0.07 -0.32 114.93 121.48 1q7a h MET 8 Ca 0.02 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.27 1q7a h MET 8 Cb 1.08 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.67 1q7a h MET 8 CO 0.10 0.73 0.11 0.82 0.23 0.00 0.00 176.91 178.90 1q7a h ILE 9 N 0.95 1.24 -0.31 1.77 2.04 -0.94 -1.49 117.51 120.78 1q7a h ILE 9 Ca 0.24 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1q7a h ILE 9 Cb 0.05 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1q7a h ILE 9 CO -0.04 0.31 0.12 0.25 0.00 0.00 0.00 178.15 178.79 1q7a h LEU 10 N 0.67 0.43 -1.04 1.44 5.85 -0.98 0.72 115.31 122.41 1q7a h LEU 10 Ca 0.15 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1q7a h LEU 10 Cb 0.34 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1q7a h LEU 10 CO 0.00 0.48 0.33 -0.33 -0.34 0.00 0.00 178.44 178.59 1q7a h GLU 11 N 0.35 1.01 0.03 1.25 5.08 -0.99 0.69 114.58 122.00 1q7a h GLU 11 Ca 0.10 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1q7a h GLU 11 Cb 0.19 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1q7a h GLU 11 CO -0.01 0.78 -0.55 1.49 -1.00 0.00 0.00 179.01 179.72 1q7a h GLU 12 N 1.00 0.32 0.00 2.33 4.57 -1.02 -3.40 114.58 118.39 1q7a h GLU 12 Ca 0.24 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1q7a h GLU 12 Cb 0.11 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1q7a h GLU 12 CO -0.03 1.09 -1.54 0.25 -1.18 0.00 0.00 179.01 177.60 1q7a n THR 13 N -4.27 0.00 -0.86 0.32 -2.24 0.23 -4.86 114.28 102.59 1q7a n THR 13 Ca -0.11 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1q7a n THR 13 Cb 0.66 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1q7a n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q7a n GLY 14 N 1.62 0.82 3.75 3.38 0.00 0.23 -5.02 105.19 109.98 1q7a n GLY 14 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1q7a n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q7a s LYS 15 N -0.14 3.05 -0.14 1.61 1.02 -1.26 -5.02 119.74 118.86 1q7a s LYS 15 Ca 0.00 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 1q7a s LYS 15 Cb 0.00 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1q7a s LYS 15 CO 0.00 0.68 1.23 -0.51 -0.92 0.00 0.00 175.35 175.82 1q7a s LEU 16 N -1.37 4.21 0.38 3.17 1.43 -1.26 -3.75 118.68 121.48 1q7a s LEU 16 Ca 0.19 1.71 0.15 0.00 -1.03 0.00 0.00 54.13 55.14 1q7a s LEU 16 Cb -0.12 -3.54 0.99 0.00 0.03 0.00 0.00 46.19 43.55 1q7a s LEU 16 CO 0.09 -0.70 1.80 0.00 0.23 0.00 0.00 176.35 177.77 1q7a h ALA 17 N 7.92 2.06 -3.20 4.21 0.00 -1.92 -2.82 119.26 125.52 1q7a h ALA 17 Ca -0.28 0.05 -0.69 0.00 0.00 0.00 0.00 54.91 53.99 1q7a h ALA 17 Cb 1.12 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.53 1q7a h ALA 17 CO 0.94 -0.42 -0.41 0.42 0.00 0.00 0.00 179.25 179.79 1q7a s ILE 18 N -5.57 3.55 0.00 0.00 -1.09 -1.26 -0.75 121.20 116.08 1q7a s ILE 18 Ca -0.09 -2.94 0.00 0.00 -2.23 0.00 0.00 60.65 55.39 1q7a s ILE 18 Cb 0.24 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1q7a s ILE 18 CO 0.79 -0.85 0.00 -2.65 -1.23 0.00 0.00 174.94 171.00 1q7a n PRO 19 N 3.52 0.00 -0.14 2.79 -0.02 -1.25 -5.03 135.00 134.88 1q7a n PRO 19 Ca 0.07 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1q7a n PRO 19 Cb 0.37 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.90 1q7a n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1q7a n SER 20 N 0.00 -0.15 -0.11 2.55 7.64 -1.06 -2.10 113.62 120.39 1q7a n SER 20 Ca 0.00 0.65 0.05 0.00 1.01 0.00 0.00 58.87 60.59 1q7a n SER 20 Cb 0.00 -0.19 0.09 0.00 -1.01 0.00 0.00 64.21 63.10 1q7a n SER 20 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1q7a n TYR 21 N -4.61 0.07 0.91 1.43 4.01 0.07 -4.56 117.16 114.49 1q7a n TYR 21 Ca 0.06 -0.76 0.10 0.00 -0.16 0.00 0.00 57.90 57.14 1q7a n TYR 21 Cb 0.18 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.01 1q7a n TYR 21 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1q7a n SER 22 N -0.90 0.87 -2.74 7.72 3.41 -0.89 -3.13 113.62 117.96 1q7a n SER 22 Ca 0.09 -0.84 -0.03 0.00 -0.26 0.00 0.00 58.87 57.83 1q7a n SER 22 Cb 0.48 1.01 0.08 0.00 -0.26 0.00 0.00 64.21 65.52 1q7a n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1q7a n SER 23 N -1.57 0.06 -4.62 4.04 3.41 -1.11 -3.77 113.62 110.06 1q7a n SER 23 Ca 0.03 -2.25 -0.35 0.00 -0.26 0.00 0.00 58.87 56.05 1q7a n SER 23 Cb 0.35 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 1q7a n SER 23 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1q7a s TYR 24 N -1.84 3.23 0.00 7.33 6.14 -0.74 -0.21 117.35 131.26 1q7a s TYR 24 Ca 0.20 0.03 0.00 0.00 0.64 0.00 0.00 57.07 57.94 1q7a s TYR 24 Cb 0.40 -2.08 0.00 0.00 0.42 0.00 0.00 41.96 40.70 1q7a s TYR 24 CO -0.06 0.12 0.00 0.41 0.64 0.00 0.00 175.55 176.65 1q7a n GLY 25 N 3.60 2.17 0.04 8.97 0.00 -0.03 -1.75 105.19 118.20 1q7a n GLY 25 Ca -0.17 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.47 1q7a n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7a n TYR 27 N -2.44 0.00 -3.00 0.00 4.02 -1.25 -4.20 117.16 110.29 1q7a n TYR 27 Ca -0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.36 1q7a n TYR 27 Cb 0.72 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.99 1q7a n TYR 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1q7a n GLY 29 N 4.65 0.53 3.67 0.00 0.00 -1.18 -1.79 105.19 111.06 1q7a n GLY 29 Ca 0.02 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1q7a n GLY 29 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1q7a s TRP 30 N 0.00 3.21 -0.18 1.61 -0.00 -1.26 -5.02 118.94 117.31 1q7a s TRP 30 Ca 0.00 0.14 -0.31 0.00 -0.00 0.00 0.00 56.10 55.93 1q7a s TRP 30 Cb 0.00 -1.89 0.14 0.00 -0.00 0.00 0.00 33.47 31.72 1q7a s TRP 30 CO 0.00 0.36 1.11 0.20 -0.00 0.00 0.00 176.95 178.62 1q7a s GLY 31 N -0.44 -0.21 0.00 5.86 0.00 -1.26 -4.75 107.32 106.51 1q7a s GLY 31 Ca 0.09 2.01 0.00 0.00 0.00 0.00 0.00 44.72 46.82 1q7a s GLY 31 CO 0.02 0.87 0.34 0.61 0.00 0.00 0.00 173.10 174.94 1q7a n GLY 32 N 0.41 0.79 3.48 0.20 0.00 -1.26 -4.95 105.19 103.86 1q7a n GLY 32 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1q7a n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q7a s LYS 33 N 0.00 1.35 0.19 1.61 1.02 -1.26 -5.08 119.74 117.57 1q7a s LYS 33 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1q7a s LYS 33 Cb 0.00 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.77 1q7a s LYS 33 CO 0.00 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 1q7a n GLY 34 N -0.31 -2.31 3.58 -3.33 0.00 -1.21 -4.78 105.19 96.83 1q7a n GLY 34 Ca -0.07 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 1q7a n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q7a s THR 35 N -0.80 4.59 0.13 2.61 2.01 -1.25 -4.46 115.64 118.47 1q7a s THR 35 Ca 0.00 -0.10 -0.35 0.00 0.31 0.00 0.00 61.69 61.55 1q7a s THR 35 Cb 0.00 -3.08 -0.16 0.00 0.01 0.00 0.00 72.50 69.27 1q7a s THR 35 CO 0.00 0.44 1.27 -2.65 -0.69 0.00 0.00 174.62 172.98 1q7a n PRO 36 N 3.83 1.18 -0.08 4.92 -0.02 -1.26 -4.85 135.00 138.71 1q7a n PRO 36 Ca -0.16 0.42 -0.06 0.00 -2.02 0.00 0.00 63.50 61.68 1q7a n PRO 36 Cb 0.52 -2.01 0.12 0.00 -0.02 0.00 0.00 33.50 32.12 1q7a n PRO 36 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1q7a h LYS 37 N 4.05 0.75 0.00 -0.52 1.79 -1.96 -3.47 116.57 117.21 1q7a h LYS 37 Ca -0.46 -0.27 -0.03 0.00 -2.18 0.00 0.00 60.65 57.72 1q7a h LYS 37 Cb 1.34 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1q7a h LYS 37 CO 0.74 0.86 0.03 -0.40 -1.08 0.00 0.00 179.45 179.60 1q7a n ASP 38 N -4.15 -0.45 -0.15 0.86 5.68 -1.26 -5.02 116.55 112.07 1q7a n ASP 38 Ca 0.01 -1.39 -0.04 0.00 -0.50 0.00 0.00 54.79 52.87 1q7a n ASP 38 Cb 0.39 0.78 0.05 0.00 -1.14 0.00 0.00 41.12 41.19 1q7a n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q7a h ALA 39 N 1.85 0.57 -0.64 2.12 0.00 -1.93 0.38 119.26 121.60 1q7a h ALA 39 Ca -0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q7a h ALA 39 Cb 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1q7a h ALA 39 CO 0.09 -0.21 0.40 1.15 0.00 0.00 0.00 179.25 180.68 1q7a h THR 40 N 0.35 1.18 -0.29 0.00 2.02 -1.92 -0.63 112.91 113.61 1q7a h THR 40 Ca 0.22 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 1q7a h THR 40 Cb 0.21 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1q7a h THR 40 CO -0.22 0.18 -0.04 -0.78 0.37 0.00 0.00 175.52 175.03 1q7a h ASP 41 N 0.86 0.43 0.20 4.18 3.58 -1.79 -1.28 116.42 122.61 1q7a h ASP 41 Ca 0.23 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.50 1q7a h ASP 41 Cb -0.05 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1q7a h ASP 41 CO -0.05 0.53 -0.35 0.03 -2.88 0.00 0.00 179.24 176.52 1q7a h ARG 42 N 0.44 0.22 -0.75 0.28 3.08 0.04 -0.80 114.38 116.89 1q7a h ARG 42 Ca 0.09 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1q7a h ARG 42 Cb 0.35 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1q7a h ARG 42 CO 0.01 0.55 0.38 0.00 -1.07 0.00 0.00 179.97 179.85 1q7a h PHE 45 N 0.54 -0.13 -0.47 0.00 3.57 -0.70 0.89 116.94 120.65 1q7a h PHE 45 Ca 0.05 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1q7a h PHE 45 Cb 0.88 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1q7a h PHE 45 CO 0.04 -0.08 0.17 0.28 -2.23 0.00 0.00 178.31 176.49 1q7a h VAL 46 N -0.14 1.18 -0.63 1.41 2.07 -1.10 -1.17 116.25 117.88 1q7a h VAL 46 Ca -0.01 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1q7a h VAL 46 Cb 0.11 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1q7a h VAL 46 CO 0.02 0.23 0.16 -0.74 0.02 0.00 0.00 177.57 177.27 1q7a h HIS 47 N 0.67 1.05 -0.68 1.57 -0.00 -0.64 0.74 115.15 117.86 1q7a h HIS 47 Ca 0.16 -0.12 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 1q7a h HIS 47 Cb 0.17 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 1q7a h HIS 47 CO 0.01 0.87 0.24 -0.44 -0.00 0.00 0.00 177.93 178.61 1q7a h ASP 48 N 0.92 0.97 -0.32 3.26 3.32 -0.14 -2.05 116.42 122.38 1q7a h ASP 48 Ca 0.20 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1q7a h ASP 48 Cb 0.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1q7a h ASP 48 CO 0.00 0.90 0.01 0.00 -1.72 0.00 0.00 179.24 178.44 1q7a h TYR 51 N 0.63 0.23 0.00 0.00 0.05 -1.06 -2.56 116.97 114.25 1q7a h TYR 51 Ca 0.15 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1q7a h TYR 51 Cb 0.28 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1q7a h TYR 51 CO 0.01 0.52 0.00 0.78 -1.05 0.00 0.00 178.16 178.43 1q7a h GLY 52 N 1.10 0.00 0.84 3.88 0.00 -0.44 -0.95 103.07 107.50 1q7a h GLY 52 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1q7a h GLY 52 CO 0.05 0.00 -0.03 0.70 0.00 0.00 0.00 176.54 177.26 1q7a n ASN 53 N -3.07 0.35 -3.19 0.19 3.02 -0.97 -4.14 115.26 107.45 1q7a n ASN 53 Ca -0.01 -0.84 -0.26 0.00 -0.03 0.00 0.00 54.58 53.43 1q7a n ASN 53 Cb 0.17 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.22 1q7a n ASN 53 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1q7a n LEU 54 N -0.85 3.55 -0.23 3.41 4.77 -0.36 -4.95 117.00 122.33 1q7a n LEU 54 Ca 0.19 -5.45 0.15 0.00 -0.03 0.00 0.00 56.01 50.87 1q7a n LEU 54 Cb 0.21 -0.41 0.45 0.00 -2.33 0.00 0.00 43.42 41.34 1q7a n LEU 54 CO 0.20 2.20 1.22 -0.65 -1.33 0.00 0.00 177.39 179.03 1q7a h PRO 55 N 3.58 0.52 -0.63 3.23 0.11 -1.74 -2.31 132.00 134.75 1q7a h PRO 55 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1q7a h PRO 55 Cb 0.64 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1q7a h PRO 55 CO 0.77 0.34 0.00 -0.25 -0.21 0.00 0.00 178.00 178.66 1q7a n ASP 56 N -4.53 4.99 -4.80 -2.05 10.43 -1.26 -4.93 116.55 114.40 1q7a n ASP 56 Ca 0.17 -2.64 -0.23 0.00 2.57 0.00 0.00 54.79 54.67 1q7a n ASP 56 Cb 0.55 -0.62 -0.05 0.00 1.84 0.00 0.00 41.12 42.84 1q7a n ASP 56 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1q7a s ASN 58 N -3.98 2.60 0.41 0.00 0.01 -1.26 -5.01 114.94 107.70 1q7a s ASN 58 Ca 0.43 -3.34 0.18 0.00 -0.71 0.00 0.00 52.86 49.41 1q7a s ASN 58 Cb -0.01 -0.85 1.08 0.00 0.41 0.00 0.00 41.25 41.89 1q7a s ASN 58 CO 0.25 -0.14 1.82 -0.65 -1.51 0.00 0.00 177.10 176.87 1q7a h PRO 59 N 5.55 0.40 -0.12 -0.60 0.11 -1.93 -1.07 132.00 134.33 1q7a h PRO 59 Ca 0.23 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1q7a h PRO 59 Cb 0.86 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1q7a h PRO 59 CO 0.49 0.27 0.02 0.87 -0.21 0.00 0.00 178.00 179.43 1q7a h LYS 60 N 0.42 0.21 0.00 1.05 1.57 -1.95 -3.06 116.57 114.81 1q7a h LYS 60 Ca 0.52 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 59.13 1q7a h LYS 60 Cb 1.29 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1q7a h LYS 60 CO -0.22 0.41 -2.05 -1.13 -0.57 0.00 0.00 179.45 175.89 1q7a n SER 61 N -4.82 0.06 -4.65 0.86 3.41 -1.15 -1.10 113.62 106.22 1q7a n SER 61 Ca -0.06 0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.15 1q7a n SER 61 Cb 0.18 1.61 -0.02 0.00 -0.26 0.00 0.00 64.21 65.72 1q7a n SER 61 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1q7a s ASP 62 N -4.86 6.90 -0.03 4.04 -1.08 -0.42 -4.74 116.67 116.49 1q7a s ASP 62 Ca -0.08 1.58 -0.17 0.00 -0.52 0.00 0.00 52.55 53.35 1q7a s ASP 62 Cb 0.11 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.98 1q7a s ASP 62 CO 0.88 -0.82 0.48 -0.13 0.52 0.00 0.00 175.17 176.11 1q7a s ARG 63 N 3.61 4.16 0.43 4.34 0.52 -1.26 0.32 118.95 131.07 1q7a s ARG 63 Ca 0.54 0.52 0.05 0.00 -0.52 0.00 0.00 55.73 56.33 1q7a s ARG 63 Cb -0.20 -3.31 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 1q7a s ARG 63 CO 0.16 0.47 0.01 1.52 0.02 0.00 0.00 175.30 177.47 1q7a s TYR 64 N -0.41 2.34 -0.04 -0.53 -0.85 -1.26 -4.88 117.35 111.71 1q7a s TYR 64 Ca 0.26 -0.75 0.06 0.00 -0.52 0.00 0.00 57.07 56.12 1q7a s TYR 64 Cb -0.17 -1.72 -0.02 0.00 0.38 0.00 0.00 41.96 40.43 1q7a s TYR 64 CO 0.14 0.38 -0.20 0.15 -1.52 0.00 0.00 175.55 174.50 1q7a s LYS 65 N -3.76 2.39 0.02 -3.49 -0.14 -1.26 -4.93 119.74 108.58 1q7a s LYS 65 Ca 0.27 -0.82 -0.09 0.00 -1.36 0.00 0.00 55.97 53.97 1q7a s LYS 65 Cb 0.08 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 34.01 1q7a s LYS 65 CO 0.14 0.55 0.19 1.52 -0.76 0.00 0.00 175.35 176.99 1q7a s TYR 66 N -0.55 0.03 0.18 3.18 -0.85 -1.26 -0.89 117.35 117.17 1q7a s TYR 66 Ca 0.08 -0.17 0.05 0.00 -0.52 0.00 0.00 57.07 56.50 1q7a s TYR 66 Cb -0.11 -0.02 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 1q7a s TYR 66 CO 0.01 -0.38 -0.08 -1.59 -1.52 0.00 0.00 175.55 171.99 1q7a s LYS 67 N -2.05 1.18 -0.24 -3.49 -2.85 -0.50 -4.95 119.74 106.84 1q7a s LYS 67 Ca -0.09 -1.54 -0.09 0.00 -1.00 0.00 0.00 55.97 53.25 1q7a s LYS 67 Cb -0.04 -0.68 -0.04 0.00 -2.06 0.00 0.00 37.83 35.02 1q7a s LYS 67 CO -0.01 0.03 0.12 1.03 0.10 0.00 0.00 175.35 176.62 1q7a s ARG 68 N -3.77 3.87 -0.79 1.78 1.81 -1.26 -1.02 118.95 119.56 1q7a s ARG 68 Ca 0.21 -0.37 -0.07 0.00 -1.72 0.00 0.00 55.73 53.78 1q7a s ARG 68 Cb 0.03 -3.43 0.20 0.00 -0.45 0.00 0.00 34.95 31.30 1q7a s ARG 68 CO 0.04 -0.06 0.67 0.08 -0.68 0.00 0.00 175.30 175.35 1q7a s VAL 69 N 1.33 4.64 -1.34 3.52 1.01 0.87 -4.62 120.40 125.81 1q7a s VAL 69 Ca 0.06 -3.04 -0.05 0.00 0.00 0.00 0.00 61.98 58.95 1q7a s VAL 69 Cb -0.15 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1q7a s VAL 69 CO 0.05 -0.99 0.95 0.59 0.00 0.00 0.00 175.10 175.70 1q7a n ASN 70 N 3.33 -3.44 0.00 3.32 4.13 -1.26 -2.09 115.26 119.25 1q7a n ASN 70 Ca 0.14 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.70 1q7a n ASN 70 Cb 0.41 -4.52 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 1q7a n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1q7a n GLY 71 N -1.60 3.03 3.76 7.41 0.00 -1.26 -5.04 105.19 111.50 1q7a n GLY 71 Ca -0.15 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1q7a n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7a s ALA 72 N -1.69 3.46 -0.12 4.61 0.00 -0.89 -4.99 121.76 122.15 1q7a s ALA 72 Ca 0.00 1.09 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 1q7a s ALA 72 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1q7a s ALA 72 CO 0.00 -0.43 0.66 0.42 0.00 0.00 0.00 175.76 176.41 1q7a s ILE 73 N -1.00 5.05 -0.19 0.00 1.01 -1.26 -0.09 121.20 124.72 1q7a s ILE 73 Ca 0.48 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.44 1q7a s ILE 73 Cb -0.36 -3.99 0.04 0.00 0.01 0.00 0.00 42.46 38.17 1q7a s ILE 73 CO 0.46 0.21 -0.08 -0.69 0.00 0.00 0.00 174.94 174.83 1q7a s VAL 74 N 1.19 1.44 0.04 2.92 1.01 -0.19 -4.95 120.40 121.86 1q7a s VAL 74 Ca 0.33 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1q7a s VAL 74 Cb -0.17 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1q7a s VAL 74 CO 0.14 0.16 1.15 0.00 0.00 0.00 0.00 175.10 176.55 1q7a s GLU 76 N 1.08 3.66 0.17 0.00 2.02 -0.07 -4.97 118.70 120.58 1q7a s GLU 76 Ca 0.57 0.10 -0.32 0.00 0.02 0.00 0.00 54.97 55.35 1q7a s GLU 76 Cb -0.27 -2.59 -0.11 0.00 0.10 0.00 0.00 34.13 31.26 1q7a s GLU 76 CO 0.29 0.15 1.78 0.21 0.02 0.00 0.00 175.26 177.71 1q7a s LYS 77 N -3.65 4.13 0.00 1.61 2.20 -1.26 -4.64 119.74 118.14 1q7a s LYS 77 Ca 0.45 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.67 1q7a s LYS 77 Cb -0.11 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1q7a s LYS 77 CO 0.30 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 1q7a n GLY 78 N 4.11 4.82 3.78 5.54 0.00 -1.26 -4.95 105.19 117.21 1q7a n GLY 78 Ca 0.17 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 1q7a n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q7a s THR 79 N 0.52 2.36 0.18 2.61 -4.23 -1.26 -4.78 115.64 111.04 1q7a s THR 79 Ca 0.00 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.50 1q7a s THR 79 Cb 0.00 -2.82 0.08 0.00 1.34 0.00 0.00 72.50 71.10 1q7a s THR 79 CO 0.00 -0.15 1.78 -1.28 -0.54 0.00 0.00 174.62 174.43 1q7a h SER 80 N -1.43 0.33 -0.31 3.99 0.87 -2.01 -0.63 113.55 114.36 1q7a h SER 80 Ca -0.50 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1q7a h SER 80 Cb 1.31 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1q7a h SER 80 CO 0.60 0.23 0.15 0.00 -0.53 0.00 0.00 176.83 177.28 1q7a h GLU 82 N 0.37 1.02 -0.36 0.00 5.08 -1.80 0.13 114.58 119.01 1q7a h GLU 82 Ca 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1q7a h GLU 82 Cb 0.11 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1q7a h GLU 82 CO -0.01 0.68 0.12 -0.91 -1.00 0.00 0.00 179.01 177.88 1q7a h ASN 83 N 1.05 0.53 -0.01 1.42 2.35 -0.89 -1.48 115.58 118.56 1q7a h ASN 83 Ca 0.34 -0.20 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 1q7a h ASN 83 Cb 0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1q7a h ASN 83 CO -0.12 0.58 -0.43 0.03 -1.65 0.00 0.00 177.43 175.84 1q7a h ARG 84 N 0.44 0.54 -0.35 0.81 3.08 -0.94 -2.24 114.38 115.72 1q7a h ARG 84 Ca 0.12 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 1q7a h ARG 84 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1q7a h ARG 84 CO -0.00 0.87 -0.02 0.82 -1.07 0.00 0.00 179.97 180.56 1q7a h ILE 85 N 0.44 1.26 -0.79 2.04 2.04 -0.68 -2.27 117.51 119.56 1q7a h ILE 85 Ca 0.03 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1q7a h ILE 85 Cb 0.94 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 1q7a h ILE 85 CO 0.08 0.34 0.51 0.00 0.00 0.00 0.00 178.15 179.08 1q7a h GLU 87 N 1.01 0.64 -0.49 0.00 4.39 -1.26 0.15 114.58 119.02 1q7a h GLU 87 Ca 0.31 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 1q7a h GLU 87 Cb -0.03 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1q7a h GLU 87 CO -0.10 0.68 0.01 0.00 -1.16 0.00 0.00 179.01 178.44 1q7a h ASP 89 N 0.72 0.71 -0.56 0.00 3.32 -0.80 -2.54 116.42 117.26 1q7a h ASP 89 Ca 0.14 -0.44 0.06 0.00 0.02 0.00 0.00 57.03 56.81 1q7a h ASP 89 Cb 0.50 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1q7a h ASP 89 CO 0.02 0.99 0.27 0.50 -1.72 0.00 0.00 179.24 179.31 1q7a h LYS 90 N 0.42 0.50 -0.65 3.56 3.64 -0.68 -0.58 116.57 122.78 1q7a h LYS 90 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1q7a h LYS 90 Cb 0.76 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1q7a h LYS 90 CO 0.06 0.33 0.35 0.00 -2.27 0.00 0.00 179.45 177.92 1q7a h ALA 91 N 1.32 0.84 -0.50 5.00 0.00 -1.38 -1.93 119.26 122.61 1q7a h ALA 91 Ca 0.26 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1q7a h ALA 91 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1q7a h ALA 91 CO -0.20 0.36 0.15 0.00 0.00 0.00 0.00 179.25 179.57 1q7a h ALA 92 N 1.17 0.66 -0.51 0.00 0.00 -0.93 -0.14 119.26 119.50 1q7a h ALA 92 Ca 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1q7a h ALA 92 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1q7a h ALA 92 CO -0.04 0.32 0.34 0.00 0.00 0.00 0.00 179.25 179.87 1q7a h ALA 93 N 1.01 0.65 -0.45 0.00 0.00 -0.88 0.90 119.26 120.48 1q7a h ALA 93 Ca 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1q7a h ALA 93 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1q7a h ALA 93 CO -0.00 0.09 0.10 0.82 0.00 0.00 0.00 179.25 180.25 1q7a h ILE 94 N 0.69 1.24 -0.74 0.00 2.04 -1.23 -1.61 117.51 117.90 1q7a h ILE 94 Ca 0.19 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1q7a h ILE 94 Cb -0.08 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1q7a h ILE 94 CO -0.04 0.30 0.49 0.00 0.00 0.00 0.00 178.15 178.90 1q7a h PHE 96 N 0.99 0.80 -0.68 0.00 0.04 -0.56 -2.39 116.94 115.14 1q7a h PHE 96 Ca 0.27 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 1q7a h PHE 96 Cb -0.10 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.76 1q7a h PHE 96 CO -0.02 0.56 0.39 -0.09 -0.60 0.00 0.00 178.31 178.55 1q7a h ARG 97 N 0.80 0.93 0.00 1.51 9.65 -0.60 -2.16 114.38 124.51 1q7a h ARG 97 Ca 0.21 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1q7a h ARG 97 Cb 0.02 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.41 1q7a h ARG 97 CO -0.04 0.68 -0.07 0.37 2.80 0.00 0.00 179.97 183.71 1q7a h GLN 98 N 0.92 0.00 -0.17 0.20 4.15 -0.67 -3.14 115.11 116.40 1q7a h GLN 98 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1q7a h GLN 98 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1q7a h GLN 98 CO -0.04 0.07 0.00 0.09 -1.93 0.00 0.00 178.83 177.02 1q7a n ASN 99 N -3.24 3.24 0.22 -0.69 3.02 -0.92 -4.68 115.26 112.21 1q7a n ASN 99 Ca -0.00 -2.93 0.07 0.00 -0.03 0.00 0.00 54.58 51.69 1q7a n ASN 99 Cb 0.30 -0.46 0.60 0.00 -0.61 0.00 0.00 39.78 39.61 1q7a n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1q7a h LEU 100 N 1.16 0.08 -1.30 3.41 3.38 -1.36 -2.33 115.31 118.36 1q7a h LEU 100 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q7a h LEU 100 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1q7a h LEU 100 CO 0.13 0.06 0.00 -0.55 0.09 0.00 0.00 178.44 178.17 1q7a h ASN 101 N 0.09 0.00 -0.09 -0.43 -0.00 -1.86 -2.70 115.58 110.60 1q7a h ASN 101 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 1q7a h ASN 101 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.31 1q7a h ASN 101 CO -0.01 0.00 0.00 0.35 -0.00 0.00 0.00 177.43 177.77 1q7a n THR 102 N -2.45 0.41 -1.73 6.14 -2.24 -0.88 -5.01 114.28 108.51 1q7a n THR 102 Ca 0.00 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.66 1q7a n THR 102 Cb 0.16 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1q7a n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q7a n TYR 103 N 0.25 2.81 -4.52 4.78 4.19 -1.02 -4.95 117.16 118.69 1q7a n TYR 103 Ca 0.05 0.18 -0.23 0.00 3.31 0.00 0.00 57.90 61.21 1q7a n TYR 103 Cb 0.24 -2.62 -0.16 0.00 0.49 0.00 0.00 39.34 37.29 1q7a n TYR 103 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1q7a s SER 104 N 0.74 1.53 0.51 2.98 0.15 -1.26 -5.02 113.70 113.33 1q7a s SER 104 Ca 0.68 -0.25 0.34 0.00 0.70 0.00 0.00 55.95 57.42 1q7a s SER 104 Cb -0.50 -0.52 1.54 0.00 -1.71 0.00 0.00 66.02 64.83 1q7a s SER 104 CO 0.43 0.07 2.01 0.11 1.20 0.00 0.00 173.24 177.05 1q7a h LYS 105 N 6.58 0.00 0.00 5.44 1.57 -1.98 -2.54 116.57 125.63 1q7a h LYS 105 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1q7a h LYS 105 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1q7a h LYS 105 CO 0.48 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 179.72 1q7a n LYS 106 N -2.87 0.01 0.00 3.15 2.85 -1.26 -1.98 118.16 118.06 1q7a n LYS 106 Ca -0.00 0.22 0.11 0.00 -1.05 0.00 0.00 58.31 57.59 1q7a n LYS 106 Cb 0.21 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.14 1q7a n LYS 106 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1q7a n TYR 107 N -1.49 0.00 -2.48 5.58 4.01 -0.96 -4.83 117.16 116.99 1q7a n TYR 107 Ca 0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 1q7a n TYR 107 Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.18 1q7a n TYR 107 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1q7a s MET 108 N -2.11 4.41 -1.42 -0.72 -1.94 -0.83 -0.85 119.30 115.83 1q7a s MET 108 Ca 0.22 1.71 -0.08 0.00 -1.71 0.00 0.00 55.69 55.83 1q7a s MET 108 Cb 0.18 -2.91 0.05 0.00 2.01 0.00 0.00 34.83 34.16 1q7a s MET 108 CO 0.40 0.03 0.61 1.28 -0.01 0.00 0.00 175.02 177.34 1q7a n LEU 109 N 0.63 -2.17 -4.72 -0.03 4.77 0.70 -4.89 117.00 111.29 1q7a n LEU 109 Ca 0.02 -0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 1q7a n LEU 109 Cb 0.47 -2.54 -0.03 0.00 -2.33 0.00 0.00 43.42 38.99 1q7a n LEU 109 CO 0.50 0.24 1.29 -0.47 -1.33 0.00 0.00 177.39 177.62 1q7a s TYR 110 N -3.08 2.98 0.35 -1.77 5.04 -1.17 -4.95 117.35 114.75 1q7a s TYR 110 Ca 0.40 0.53 -0.28 0.00 -2.44 0.00 0.00 57.07 55.27 1q7a s TYR 110 Cb -0.20 -4.02 -0.11 0.00 0.35 0.00 0.00 41.96 37.98 1q7a s TYR 110 CO 0.49 -3.80 1.40 -2.14 -1.34 0.00 0.00 175.55 170.16 1q7a s PRO 111 N 1.01 4.23 0.24 4.97 0.02 -1.26 -4.89 135.00 139.32 1q7a s PRO 111 Ca 0.71 2.40 -0.06 0.00 0.02 0.00 0.00 61.00 64.07 1q7a s PRO 111 Cb -0.47 -3.02 0.25 0.00 0.02 0.00 0.00 34.50 31.29 1q7a s PRO 111 CO 0.33 -0.36 1.85 0.22 -0.33 0.00 0.00 177.00 178.71 1q7a h ASP 112 N 3.19 1.07 0.22 2.53 1.82 -1.95 -2.92 116.42 120.38 1q7a h ASP 112 Ca -0.50 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 1q7a h ASP 112 Cb 1.23 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1q7a h ASP 112 CO 0.65 0.88 0.00 2.19 -1.61 0.00 0.00 179.24 181.35 1q7a h PHE 113 N 1.18 0.00 -0.01 0.28 -0.00 -2.03 -1.11 116.94 115.25 1q7a h PHE 113 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.26 1q7a h PHE 113 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.02 1q7a h PHE 113 CO 0.01 0.00 -0.04 1.28 -0.00 0.00 0.00 178.31 179.56 1q7a n LEU 114 N -2.91 0.70 -4.30 2.10 4.77 -1.10 -4.48 117.00 111.77 1q7a n LEU 114 Ca -0.02 -0.18 -0.46 0.00 -0.03 0.00 0.00 56.01 55.32 1q7a n LEU 114 Cb 0.11 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1q7a n LEU 114 CO 0.20 0.12 0.38 0.00 -1.33 0.00 0.00 177.39 176.75 1q7a s LYS 116 N 0.19 2.83 0.00 0.00 2.36 -1.26 -3.93 119.74 119.93 1q7a s LYS 116 Ca 0.17 -0.78 0.00 0.00 -2.55 0.00 0.00 55.97 52.81 1q7a s LYS 116 Cb -0.12 -2.34 0.00 0.00 -1.05 0.00 0.00 37.83 34.32 1q7a s LYS 116 CO -0.08 -0.06 0.00 0.41 1.55 0.00 0.00 175.35 177.17 1q7a n GLY 117 N 4.21 -0.41 2.77 5.54 0.00 -1.26 -3.97 105.19 112.07 1q7a n GLY 117 Ca -0.20 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 1q7a n GLY 117 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q7a s GLU 118 N -1.81 0.66 -0.19 1.61 -1.05 -1.26 -3.30 118.70 113.37 1q7a s GLU 118 Ca 0.00 -0.03 -0.05 0.00 -0.15 0.00 0.00 54.97 54.74 1q7a s GLU 118 Cb 0.00 -1.28 0.07 0.00 -0.44 0.00 0.00 34.13 32.48 1q7a s GLU 118 CO 0.00 -0.38 0.10 -1.17 0.95 0.00 0.00 175.26 174.76 1q7a s LEU 119 N 1.94 0.34 0.28 1.83 0.20 -1.26 -4.97 118.68 117.04 1q7a s LEU 119 Ca 0.04 -0.67 -0.18 0.00 0.69 0.00 0.00 54.13 54.00 1q7a s LEU 119 Cb -0.13 -0.22 -0.09 0.00 -0.43 0.00 0.00 46.19 45.31 1q7a s LEU 119 CO -0.06 -0.36 0.76 -0.75 -0.29 0.00 0.00 176.35 175.65 1q7a s LYS 120 N 2.14 4.17 0.00 1.98 2.20 -1.26 -5.06 119.74 123.92 1q7a s LYS 120 Ca 0.03 0.84 0.09 0.00 -0.36 0.00 0.00 55.97 56.57 1q7a s LYS 120 Cb -0.16 -2.65 0.52 0.00 -1.51 0.00 0.00 37.83 34.03 1q7a s LYS 120 CO -0.12 0.26 0.97 0.00 -0.36 0.00 0.00 175.35 176.10